1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol

C13H19ClN2O3S — CID 115964796

IUPAC1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1cc(S(=O)(=O)N2CCC(C(C)O)C2)cc(N)c1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8-5-11(6-12(15)13(8)14)20(18,19)16-4-3-10(7-16)9(2)17/h5-6,9-10,17H,3-4,7,15H2,1-2H3
InChIKeyGUBRINSSEHNIGO-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol

1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 115964796) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID115964796
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCc1cc(S(=O)(=O)N2CCC(C(C)O)C2)cc(N)c1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8-5-11(6-12(15)13(8)14)20(18,19)16-4-3-10(7-16)9(2)17/h5-6,9-10,17H,3-4,7,15H2,1-2H3
InChIKeyGUBRINSSEHNIGO-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-chloro-5-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 102955139
1-[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964793
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
1-[1-(3-amino-5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114380091
1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964810
1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627588
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
(1R)-1-[(3R)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239679
(1S)-1-[(3S)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239680
1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 115964796) is 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol is Cc1cc(S(=O)(=O)N2CCC(C(C)O)C2)cc(N)c1Cl.
What is the InChIKey of 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is GUBRINSSEHNIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-5-11(6-12(15)13(8)14)20(18,19)16-4-3-10(7-16)9(2)17/h5-6,9-10,17H,3-4,7,15H2,1-2H3.
What are the key properties of 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol?
1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 318.83 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115964796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).